Effect of sodium cation on metallacycle β-hydride elimination in CO2-ethylene coupling to acrylates

Chemistry - A European Journal

Volumn 20, Issue 11, 2014, Pages 3205-3211

  Jin, Dong ^a   Williard, Paul G ^a   Hazari, Nilay ^b   Bernskoetter, Wesley H ^a  

^a BROWN UNIVERSITY   (United States)

^b YALE UNIVERSITY   (United States)

Author keywords

density functional calculations; fixation of carbon dioxide; metallacycles; nickel

Indexed keywords

CATALYTIC CONVERSION; CATALYTIC PROCESS; CATALYTIC TURNOVER; COMMODITY CHEMICALS; FIXATION OF CARBON DIOXIDE; HYDRIDE ELIMINATION; ISOMERIZATION REACTION; METALLACYCLES;

ACTIVATION ENERGY; DENSITY FUNCTIONAL THEORY; ETHYLENE; HYDRIDES; ISOMERIZATION; NICKEL; POSITIVE IONS; SALTS; THERMODYNAMICS;

CARBON DIOXIDE;

EID: 84897628290     PISSN: 09476539     EISSN: 15213765     Source Type: Journal    
DOI: 10.1002/chem.201304196     Document Type: Article

References (30)

1. M. Cokoja, C. Bruckmeier, B. Rieger, W. A. Herrmann, F. E. Kuhn, Angew. Chem. 2011, 123, 8662
2. Angew. Chem. Int. Ed. 2011, 50, 8510
3. Renewable Raw Materials: New Feedstocks for the Chemical Industry (Eds.:, R. Ulber, D. Sell, T. Hirth,), Wiley-VCH, Weinheim, 2011.
4. Developments and Innovations in Carbon Dioxide Capture and Storage Technology, Vola2: Carbon Dioxide Storage and Utilisation (Ed.:, M.aM.Maroto-Valer,), Woodhead, Cambridge, 2010.
5. M. Aresta, A. Dibenedetto, in Industrial Utilization of Carbon Dioxide; Developments and Innovation in Carbon Dioxide Capture and Storage Technology (Ed.:, M.aM. Maroto-Valer,), Woodhead, Cambridge, 2010, pp.a 377-410.
6. R. Alvarez, E. Carmona, D. J. Cole-Hamilton, A. Galindo, E. Gutierrez-Puebla, A. Monge, M. L. Poveda, C. Ruiz, J. Am. Chem. Soc. 1985, 107, 5529
7. A. Galindo, A. Pastor, P. Perez, E. Carmona, Organometallics 1993, 12, 4443
8. C. Collazo, M. delaMaraConejo, A. Pastor, A. Galindo, Inorg. Chim. Acta 1998, 272, 125
9. R. Fischer, J. Langer, G. Malassa, D. Walther, H. Gorls, G. Vaughan, Chem. Commun. 2006, 2510
10. W. H. Bernskoetter, B. T. Tyler, Organometallics 2011, 30, 520.
11. H. Hoberg, D. Schaefer, J. Organomet. Chem. 1983, 251, C 51.
12. I. Papai, G. Schubert, I. Mayer, G. Besenyei, M. Aresta, Organometallics 2004, 23, 5252
13. D. C. Graham, C. Mitchell, M. I. Bruce, G. F. Metha, J. H. Bowie, M. A. Buntine, Organometallics 2007, 26, 6784.
14. C. Bruckmeier, M. W. Lehenmeier, R. Reichardt, S. Vagin, B. Rieger, Organometallics 2010, 29, 2199
15. S. Y. T. Lee, M. Cokoja, M. Drees, Y. Li, J. Mink, W. A. Herrmann, F. E. Kuhn, ChemSusChem 2011, 4, 1275
16. P. N. Plessow, L. Weigel, R. Lindner, A. Schafer, F. Rominger, M. Limbach, P. Hofmann, Organometallics 2013, 32, 3327.
17. M. L. Lejkowski, R. Lindner, T. Kageyama, G. E. Bodizs, P. N. Plessow, I. B. Muller, A. Schafer, F. Rominger, P. Hofmann, C. Futter, S. A. Schunk, M. Limbach, Chem. Eur. J. 2012, 18, 14017.
18. D. Jin, T. J. Schmeier, P. G. Williard, N. Hazari, W. H. Bernskoetter, Organometallics 2013, 32, 2152.
19. H. Hoberg, Y. Peres, C. Kruger, Y. H. Tsay, Angew. Chem. Int. Ed. Engl. 1987, 26, 771
20. H. Hoberg, A. Ballesteros, A. Sigan, C. Jegat, D. Barhausen, A. Milchereit, J. Organomet. Chem. 1991, 407, C 23.
21. S. Baba, T. Ogura, S. Kawaguchi, H. Tokunan, Y. Kai, N. Kasai, Chem. Commun. 1972, 910
22. L. Pandolfo, G. Paiaro, G. Valle, P. Ganis, Gazz. Chim. Ital. 1985, 115, 65
23. W. A. Herrmann, U. Kusthardt, A. Schafer, E. Herdtweck, Angew. Chem. 1986, 98, 818
24. Angew. Chem. Int. Ed. Engl. 1986, 25, 817
25. M. Gõmez, M. Paneque, M. L. Poveda, E. Alvarez, J. Am. Chem. Soc. 2007, 129, 6092.
26. P. Mastrorilli, G. Moro, C. C. F. Nobile, M. Latronico, Inorg. Chim. Acta 1992, 192, 189.
27. N. A. Yakelis, R. G. Bergman, Organometallics 2005, 24, 3579.
28. A. B. Pangborn, M. A. Giardello, R. H. Grubbs, R. K. Rosen, F. J. Timmers, Organometallics 1996, 15, 1518.
29. J. Sandström, Dynamic NMR Spectroscopy, Academic Press, New York, 1982.
30. Gaussiana09, RevisionaA.02, M.aJ. Frisch, G.aW. Trucks, H.aB. Schlegel, G.aE. Scuseria, M.aA. Robb, J.aR. Cheeseman, G. Scalmani, V. Barone, B. Mennucci, G.aA. Petersson, H. Nakatsuji, M. Caricato, X. Li, H.aP. Hratchian, A.aF. Izmaylov, J. Bloino, G. Zheng, J.aL. Sonnenberg, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, T. Vreven, J.aA. Montgomery,aJr., J.aE. Peralta, F. Ogliaro, M. Bearpark, J.aJ. Heyd, E. Brothers, K.aN. Kudin, V.aN. Staroverov, R. Kobayashi, J. Normand, K. Raghavachari, A. Rendell, J.aC. Burant, S.aS. Iyengar, J. Tomasi, M. Cossi, N. Rega, J.aM. Millam, M. Klene, J.aE. Knox, J.aB. Cross, V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R.aE. Stratmann, O. Yazyev, A.aJ. Austin, R. Cammi, C. Pomelli, J.aW. Ochterski, R.aL. Martin, K. Morokuma, V.aG. Zakrzewski, G.aA. Voth, P. Salvador, J.aJ. Dannenberg, S. Dapprich, A.aD. Daniels, Ö. Farkas, J.aB. Foresman, J.aV. Ortiz, J. Cioslowski, and D.aJ. Fox, Gaussian, Inc., Wallingford CT, 2009.